Geometry & MOs

Info

ID:	281085
PubChem CID:	103852848
Reduced:	N3O3C10H19 (1)
Stoich.:	A3B3C10D19 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	3.95
IP(EA), eV:	-9.81(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-but-3-enoxyethyl)-1-(2-nitrophenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)N)NCCOCCC=C

DOS

IR

Vibrations