Geometry & MOs

Info

ID:	364477
PubChem CID:	127315729
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	4.33
IP(EA), eV:	-8.66(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-methylpyrazol-3-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CC2=CCCCC2)C

DOS

IR

Vibrations