Geometry & MOs

Info

ID:	344235
PubChem CID:	127267411
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	304.097168
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	3.86
IP(EA), eV:	-9.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluoro-6-nitrophenyl)methyl]-5,6,7,8-tetrahydropyrazolo[4,3-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCN2C=C3C(=N2)CCCNC3=O

DOS

IR

Vibrations