Geometry & MOs

Info

ID:	31848
PubChem CID:	3720896
Reduced:	NPO5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-267.48
Dipole, Da:	4.72
IP(EA), eV:	-9.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCCP(=O)(O)O)(C(=O)O)N

DOS

IR

Vibrations