Geometry & MOs

Info

ID:	320273
PubChem CID:	126659128
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	372.169859
ΔH_f, kcal/mol:	27.2
Dipole, Da:	4.03
IP(EA), eV:	-9.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[3-(2H-azirin-2-yl)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC[C@](C=C1)(C)C#N

DOS

IR

Vibrations