Geometry & MOs

Info

ID:	190408
PubChem CID:	77999398
Reduced:	O4N6C13H24 (1)
Stoich.:	A4B6C13D24 (1)
Weight, g/mol:	443.233955
ΔH_f, kcal/mol:	-127.97
Dipole, Da:	5.21
IP(EA), eV:	-9.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3-chlorophenyl)methyl]-N-(1-cyclohexa-2,4-dien-1-yl-2-methoxyethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1NN=O

DOS

IR

Vibrations