Geometry & MOs

Info

ID:	266572
PubChem CID:	103572107
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	4.6
IP(EA), eV:	-9.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cycloheptylamino)-2-(1-propylpyrazol-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CC(=O)C(=O)O

DOS

IR

Vibrations