Geometry & MOs

Info

ID:	378621
PubChem CID:	134224714
Reduced:	NC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	74.93
Dipole, Da:	2.64
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CN2C=C(C=CC2=N1)CC(C)C3=CC4C=NC=CC4N3

DOS

IR

Vibrations