Geometry & MOs

Info

ID:	173040
PubChem CID:	75588638
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	4.63
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)pyrazolidin-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1CC(CC(O1)C2=CN(N=C2C)CC=C)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations