Geometry & MOs

Info

ID:	359007
PubChem CID:	127297251
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-144.22
Dipole, Da:	2.71
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2(CCCCC2)CNC(=O)C3=CC4=C(C=C3)NC(=O)CC4)C

DOS

IR

Vibrations