Geometry & MOs

Info

ID:	143337
PubChem CID:	53193745
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	433.284161
ΔH_f, kcal/mol:	12.98
Dipole, Da:	3.19
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC=N1)CC3=CC=CS3

DOS

IR

Vibrations