Geometry & MOs

Info

ID:	358481
PubChem CID:	127296077
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	3.78
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)NCC2CCN(C2)C3CC3

DOS

IR

Vibrations