Geometry & MOs

Info

ID:	421598
PubChem CID:	135116282
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-75.19
Dipole, Da:	2.86
IP(EA), eV:	-7.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-morpholin-4-yl-N-[2-(1H-pyrazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)N3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations