Geometry & MOs

Info

ID:	436312
PubChem CID:	135198808
Reduced:	NC16H35 (1)
Stoich.:	AB16C35 (1)
Weight, g/mol:	417.204386
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	1.45
IP(EA), eV:	-8.65(3.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[[(2-amino-5-chlorophenyl)-[[1-(cyclopropylmethyl)imidazol-4-yl]amino]methylidene]amino]propylamino]ethyl]formamide

Drug info:

PubChemData

Smile

CCC(C)(C(C)C(C)(C)C)C(C)(C)C(C)NC

DOS

IR

Vibrations