Geometry & MOs

Info

ID:	362013
PubChem CID:	127305366
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	4.91
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propylpyrrolidin-2-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2COC3=CC=CC=C3O2)CN4C=CC=N4

DOS

IR

Vibrations