Geometry & MOs

Info

ID:	84947
PubChem CID:	49870867
Reduced:	O3N4C10H15 (2)
Stoich.:	A3B4C10D15 (2)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	8.16
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)-N-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)C(CCC(/C=C/1\[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N)N

DOS

IR

Vibrations