Geometry & MOs

Info

ID:	199953
PubChem CID:	79322404
Reduced:	ClN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	33.61
Dipole, Da:	4.77
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(=CC1=C(N=C2C=C(C=CC2=C1)C)Cl)CN

DOS

IR

Vibrations