Geometry & MOs

Info

ID:	290933
PubChem CID:	111641292
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	23.75
Dipole, Da:	6.08
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CC(CCNC(=NC)NCC(C)CN1C=CC=N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations