Geometry & MOs

Info

ID:	363113
PubChem CID:	127310146
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	5.81
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-methylpyrazol-3-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CCC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations