Geometry & MOs

Info

ID:	363111
PubChem CID:	127310144
Reduced:	O2N7C16H19 (1)
Stoich.:	A2B7C16D19 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	44.42
Dipole, Da:	4.03
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations