Geometry & MOs

Info

ID:	432388
PubChem CID:	135172521
Reduced:	O4N8H34C37 (1)
Stoich.:	A4B8C34D37 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	21.63
Dipole, Da:	5.1
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CN4CC[C@H](C4)C(=O)O)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C)C#N

DOS

IR

Vibrations