Geometry & MOs

Info

ID:	218122
PubChem CID:	85088911
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	102.92
Dipole, Da:	2.66
IP(EA), eV:	-8.42(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=C2C(=NC=C1)C(=C3C(=CC4=CC=CC=C4C3=O)C2=O)N=CCN(C)C

DOS

IR

Vibrations