Geometry & MOs

Info

ID:	359556
PubChem CID:	127298830
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	4.24
IP(EA), eV:	-9.13(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)CCNC(=O)N(C)CC3=CC=CC=C3)C)C

DOS

IR

Vibrations