Geometry & MOs

Info

ID:	233888
PubChem CID:	92126169
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	2.63
IP(EA), eV:	-8.96(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbenzimidazol-1-yl)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)C

DOS

IR

Vibrations