Geometry & MOs

Info

ID:	172052
PubChem CID:	75459823
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	5.98
IP(EA), eV:	-8.87(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations