Geometry & MOs

Info

ID:	49269
PubChem CID:	11532519
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	451.213888
ΔH_f, kcal/mol:	-131.47
Dipole, Da:	9.93
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=NN(C1=O)C2=CC=C(C=C2)C(=O)N3CCOCC3)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations