Geometry & MOs

Info

ID:	355331
PubChem CID:	127288308
Reduced:	ON7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	42.07
Dipole, Da:	5.93
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CN2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations