Geometry & MOs

Info

ID:	169561
PubChem CID:	75120286
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	359.206973
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	12.12
IP(EA), eV:	-8.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]diazinan-3-one

Drug info:

PubChemData

Smile

CC1CC(=O)N=C2C1=C(NN2C)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations