Geometry & MOs

Info

ID:	74649
PubChem CID:	48422237
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	3.97
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopropylmethoxy)propanoylamino]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations