Geometry & MOs

Info

ID:	233889
PubChem CID:	92126171
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	0.33
Dipole, Da:	3.65
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)CCN4C(=NC5=CC=CC=C54)C

DOS

IR

Vibrations