Geometry & MOs

Info

ID:	205751
PubChem CID:	80151358
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	4.47
IP(EA), eV:	-9.05(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrrolidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C(CC1)NC(=O)N2CCNCC2)C(=O)O

DOS

IR

Vibrations