Geometry & MOs

Info

ID:	363134
PubChem CID:	127310167
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	5.86
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(1-propylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations