Geometry & MOs

Info

ID:	180443
PubChem CID:	76633435
Reduced:	PN2O7C37H41 (1)
Stoich.:	AB2C7D37E41 (1)
Weight, g/mol:	279.134482
ΔH_f, kcal/mol:	-264.34
Dipole, Da:	2.02
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-[(4-hydroxybenzoyl)amino]-2-methylpyrrolidin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CP(=O)(C2=CC=CC(=C2)OC)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations