Geometry & MOs

Info

ID:	367413
PubChem CID:	127324569
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	377.279075
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	5.59
IP(EA), eV:	-9.12(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-(1-cyclopropylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations