Geometry & MOs

Info

ID:	364419
PubChem CID:	127315658
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	5.2
IP(EA), eV:	-8.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-2-methylpyrazol-3-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(COC3)C=C2)C

DOS

IR

Vibrations