Geometry & MOs

Info

ID:	141954
PubChem CID:	52956610
Reduced:	O2N4C8H9 (2)
Stoich.:	A2B4C8D9 (2)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	7.21
IP(EA), eV:	-9.33(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-N-phenyl-3a,4,5,6,7,7a-hexahydrobenzimidazole-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=N/N=C/2\N=C3C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N=CN=C3N

DOS

IR

Vibrations