Geometry & MOs

Info

ID:	363232
PubChem CID:	127310373
Reduced:	O2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	5.75
IP(EA), eV:	-8.75(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-[1-(1-phenylethyl)pyrrolidin-3-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NC3CCN(CC3)C(C)(C)C

DOS

IR

Vibrations