Geometry & MOs

Info

ID:	290596
PubChem CID:	109761585
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	330.228043
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	6.75
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-imidazol-1-yl-4-methyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide

Drug info:

PubChemData

Smile

CC1CCN(CC1N2C=CN=C2)C(=NC)NCC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations