Geometry & MOs

Info

ID:	359900
PubChem CID:	127299944
Reduced:	BrON5C17H28 (1)
Stoich.:	ABC5D17E28 (1)
Weight, g/mol:	387.06947
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	2.81
IP(EA), eV:	-8.81(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations