Geometry & MOs

Info

ID:	74677
PubChem CID:	48422278
Reduced:	BrN4O4C16H17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	3.06
IP(EA), eV:	-9.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(3-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

DOS

IR

Vibrations