Geometry & MOs

Info

ID:	291282
PubChem CID:	111978430
Reduced:	BrON4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	386.304562
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butylphenyl)methyl]-2-methyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCN(CC2)CC3CCOC3

DOS

IR

Vibrations