Geometry & MOs

Info

ID:	324074
PubChem CID:	126676881
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	443.185844
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	5.81
IP(EA), eV:	-8.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-[4-(quinolin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(C)NC(=C)C1=CN(C(=C)C(=C1)C(=O)NC)CC2=CC(=CC=C2)O

DOS

IR

Vibrations