Geometry & MOs

Info

ID:	150213
PubChem CID:	53789900
Reduced:	ClO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	349.251798
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	1.29
IP(EA), eV:	-10.16(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,6-diphenyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl]-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(CC=CCCl)C=C

DOS

IR

Vibrations