Geometry & MOs

Info

ID:	343131
PubChem CID:	127266304
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	333.123718
ΔH_f, kcal/mol:	1.34
Dipole, Da:	6.98
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-nitrophenyl)-1-methyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNC(=O)NC2=C(SN=C2C)C

DOS

IR

Vibrations