Geometry & MOs

Info

ID:	289441
PubChem CID:	104353972
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-151.61
Dipole, Da:	3.48
IP(EA), eV:	-8.54(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(C2)NC(=O)OC)O

DOS

IR

Vibrations