Geometry & MOs

Info

ID:	155876
PubChem CID:	56368061
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	7.7
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3

DOS

IR

Vibrations