Geometry & MOs

Info

ID:	290721
PubChem CID:	109837533
Reduced:	IN4O5C22H35 (1)
Stoich.:	AB4C5D22E35 (1)
Weight, g/mol:	441.321609
ΔH_f, kcal/mol:	-208.91
Dipole, Da:	5.19
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[methyl-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]amino]methylidene]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=C(C=C1)C(=O)OC)OC)N2CC[C@H](C2)NC(=O)OC(C)(C)C.I

DOS

IR

Vibrations