Geometry & MOs

Info

ID:	363560
PubChem CID:	127311639
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	5.0
IP(EA), eV:	-9.4(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethylcyclopropyl)methyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)N2CCC(CC2)C#N)C

DOS

IR

Vibrations