Geometry & MOs

Info

ID:	71845
PubChem CID:	48415531
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	3.63
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloro-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)OC

DOS

IR

Vibrations