Geometry & MOs

Info

ID:	362869
PubChem CID:	127309698
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	3.33
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations