Geometry & MOs

Info

ID:	291232
PubChem CID:	111978223
Reduced:	BrIO2N4C18H28 (1)
Stoich.:	ABC2D4E18F28 (1)
Weight, g/mol:	410.13174
ΔH_f, kcal/mol:	-78.5
Dipole, Da:	6.38
IP(EA), eV:	-9.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(C1)C(=NC)NCC2=CC=C(C=C2)Br.I

DOS

IR

Vibrations