Geometry & MOs

Info

ID:	199872
PubChem CID:	79311571
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	9.91
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)C(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations