Geometry & MOs

Info

ID:	343826
PubChem CID:	127267002
Reduced:	BrON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	6.58
IP(EA), eV:	-8.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-morpholin-4-yl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)CC2=C(C=NC=C2)Br

DOS

IR

Vibrations