Geometry & MOs

Info

ID:	75333
PubChem CID:	48423339
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	3.26
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(S1)Br)OCC2CC2

DOS

IR

Vibrations