Geometry & MOs

Info

ID:	174728
PubChem CID:	75807084
Reduced:	O2N5C23H36 (1)
Stoich.:	A2B5C23D36 (1)
Weight, g/mol:	332.20865
ΔH_f, kcal/mol:	-32.24
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753516
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[1-(3-methoxyphenyl)-2-(1H-pyrazol-4-ylcarbamoylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CCCCNC(=O)NC(C2=CC(=CC=C2)OC)C3=NC=CN3C

DOS

IR

Vibrations