Geometry & MOs

Info

ID:	344240
PubChem CID:	127267416
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	4.56
IP(EA), eV:	-8.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylquinazolin-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C)S(=O)(=O)C2=CN(C(=C2)C(=O)NC)C

DOS

IR

Vibrations