Geometry & MOs

Info

ID:	344245
PubChem CID:	127267421
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	5.94
IP(EA), eV:	-9.6(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CN(N=N1)C2CCCN(C2)C(=O)C=C

DOS

IR

Vibrations