Geometry & MOs

Info

ID:	343585
PubChem CID:	127266758
Reduced:	N4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	37.51
Dipole, Da:	4.56
IP(EA), eV:	-8.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)CNC(C)C(C2=CC=CC=C2)N(C)C)C

DOS

IR

Vibrations