Geometry & MOs

Info

ID:	185209
PubChem CID:	77270771
Reduced:	N2O4C29H36 (1)
Stoich.:	A2B4C29D36 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-149.96
Dipole, Da:	3.35
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[4-(1-hydroxyethyl)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone

Drug info:

PubChemData

Smile

CC1(C2CC3=C(C1(CCN2C(=O)C4=CC=CC(=C4)C(=O)N5CCCC5COC)C)C=CC=C3O)C

DOS

IR

Vibrations