Geometry & MOs

Info

ID:	218032
PubChem CID:	85088771
Reduced:	NO3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-306.01
Dipole, Da:	2.69
IP(EA), eV:	-9.29(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[[2-(4-hydroxy-4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCNC(=O)C(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations