Geometry & MOs

Info

ID:	289371
PubChem CID:	104347641
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	3.49
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[4-(aminomethyl)phenyl]acetyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(C2)NC(=O)C)N

DOS

IR

Vibrations