Geometry & MOs

Info

ID:	309330
PubChem CID:	126545224
Reduced:	BrN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	749.633548
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	6.07
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N,N'-bis[2,6-di(propan-2-yl)phenyl]carbamimidoyl]-1,1,3,3-tetracyclohexylguanidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)NCC1=C(C2=CC=CC=C2C=N1)Br

DOS

IR

Vibrations