Geometry & MOs

Info

ID:	175537
PubChem CID:	75918571
Reduced:	ClO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	2.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.066257
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(2-phenylmethoxypyridine-4-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)C(C)CNC(=O)CNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations