Geometry & MOs

Info

ID:	323788
PubChem CID:	126676182
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	595.363474
ΔH_f, kcal/mol:	24.68
Dipole, Da:	5.6
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC=C2N3C=C(C=N3)C=O)C=C1

DOS

IR

Vibrations