Geometry & MOs

Info

ID:	265405
PubChem CID:	103520059
Reduced:	IN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	5.22
IP(EA), eV:	-9.89(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxycyclobutyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CONC(=O)C1=C(C=C(C=C1)I)[N+](=O)[O-]

DOS

IR

Vibrations