Geometry & MOs

Info

ID:	364414
PubChem CID:	127315653
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	5.93
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)F)C

DOS

IR

Vibrations