Geometry & MOs

Info

ID:	370442
PubChem CID:	127338804
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	6.82
IP(EA), eV:	-8.64(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1-phenyltriazol-4-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCCC(CC2)N3CCCC3

DOS

IR

Vibrations