Geometry & MOs

Info

ID:	291343
PubChem CID:	111978700
Reduced:	O2N4C23H38 (1)
Stoich.:	A2B4C23D38 (1)
Weight, g/mol:	377.12151
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	3.25
IP(EA), eV:	-8.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NCCCCOCC

DOS

IR

Vibrations