Geometry & MOs

Info

ID:	417182
PubChem CID:	135091584
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	4.59
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethylamino)-1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCCC4=CC=C(C=C4)OC

DOS

IR

Vibrations