Geometry & MOs

Info

ID:	358484
PubChem CID:	127296080
Reduced:	OS2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)NCC2(CCCC2)N3CCSCC3

DOS

IR

Vibrations