Geometry & MOs

Info

ID:	289393
PubChem CID:	104349256
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	3.71
IP(EA), eV:	-8.76(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(2-aminocycloheptanecarbonyl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)C(=O)CNC2=CC=CC=C2

DOS

IR

Vibrations