Geometry & MOs

Info

ID:	360234
PubChem CID:	127300877
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	50.92
Dipole, Da:	7.0
IP(EA), eV:	-8.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations