Geometry & MOs

Info

ID:	72050
PubChem CID:	48415757
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	5.72
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC(C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations