Geometry & MOs

Info

ID:	291228
PubChem CID:	111978213
Reduced:	BrIO2N4C20H32 (1)
Stoich.:	ABC2D4E20F32 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	-94.89
Dipole, Da:	4.91
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)NC(=NC)NCC2=CC=C(C=C2)Br.I

DOS

IR

Vibrations