Geometry & MOs

Info

ID:	365198
PubChem CID:	127317015
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	5.59
IP(EA), eV:	-8.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCCCC2CN3CCOCC3)C(C)(C)C

DOS

IR

Vibrations