Geometry & MOs

Info

ID:	358529
PubChem CID:	127296125
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-152.74
Dipole, Da:	5.61
IP(EA), eV:	-8.78(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)NC2CCSCC2

DOS

IR

Vibrations