Geometry & MOs

Info

ID:	307735
PubChem CID:	125308735
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	11.68
Dipole, Da:	2.03
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,9aR)-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1[C@H](C)C(=O)C2=C3C=CC=CC3=NC2

DOS

IR

Vibrations