Geometry & MOs

Info

ID:	330755
PubChem CID:	127248162
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	8.43
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-methylphenyl)-N-[(2R,4S)-2-(4-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2(CCN(C2)C(=O)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations