Geometry & MOs

Info

ID:	322746
PubChem CID:	126670961
Reduced:	OC7H14 (1)
Stoich.:	AB7C14 (1)
Weight, g/mol:	602.405673
ΔH_f, kcal/mol:	-77.3
Dipole, Da:	2.31
IP(EA), eV:	-10.23(2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(E)-N'-[1-[[(Z)-ethylideneamino]-methylamino]ethyl]carbamimidoyl]-N-[(3S,4S)-4-[[4-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]but-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CCC1C)O

DOS

IR

Vibrations