Geometry & MOs

Info

ID:	291233
PubChem CID:	111978224
Reduced:	BrO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	428.12232
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	4.17
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[N-[(4-bromo-2-fluorophenyl)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

DOS

IR

Vibrations