Geometry & MOs

Info

ID:	70242
PubChem CID:	48409695
Reduced:	O2N3C10H12 (2)
Stoich.:	A2B3C10D12 (2)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	5.52
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(E)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CN(N=N2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations