Geometry & MOs

Info

ID:	121861
PubChem CID:	50784465
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	435.169525
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	7.61
IP(EA), eV:	-9.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=C(O1)CN2C3=C(C=CC=N3)N4C=CC=C4C2=O

DOS

IR

Vibrations