Geometry & MOs

Info

ID:	130370
PubChem CID:	51075746
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	1.27
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NCC(C2=CC(=CC=C2)OC)N(C)C

DOS

IR

Vibrations