Geometry & MOs

Info

ID:	305848
PubChem CID:	124971519
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	4.38
IP(EA), eV:	-9.06(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-pyrimidin-2-yloxybenzoyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)CC(=O)N3CC[C@H](C3)C4=CC=NN4

DOS

IR

Vibrations