Geometry & MOs

Info

ID:	233884
PubChem CID:	92126165
Reduced:	ClO2N4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	1.43
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)CCC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations