Geometry & MOs

Info

ID:	360239
PubChem CID:	127300882
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	54.99
Dipole, Da:	5.7
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations