Geometry & MOs

Info

ID:	291237
PubChem CID:	111978237
Reduced:	BrFIN4C18H27 (1)
Stoich.:	ABCD4E18F27 (1)
Weight, g/mol:	422.16812
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	5.4
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N'-[(4-bromophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)Br)F)N2CCC(C2)N3CCCC3.I

DOS

IR

Vibrations