Geometry & MOs

Info

ID:	346624
PubChem CID:	127271128
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	3.94
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylcarbamoylamino)-N-[1-(oxolan-2-yl)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations