Geometry & MOs

Info

ID:	358513
PubChem CID:	127296109
Reduced:	O3N5C19H35 (1)
Stoich.:	A3B5C19D35 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	5.69
IP(EA), eV:	-8.66(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)NCCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations