Geometry & MOs

Info

ID:	242411
PubChem CID:	96099946
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	14.96
Dipole, Da:	6.42
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2S)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations