Geometry & MOs

Info

ID:	343841
PubChem CID:	127267017
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	1.59
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(N(N=C1)C)CNC2=CN(N=C2)CC(=O)NC

DOS

IR

Vibrations