Geometry & MOs

Info

ID:	240979
PubChem CID:	93618743
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	4.02
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)[C@@H]2CCCN2CC(=O)C3=C(N(C(=O)N(C3=O)C)C)N

DOS

IR

Vibrations