Geometry & MOs

Info

ID:	348205
PubChem CID:	127273270
Reduced:	O2N6C17H30 (1)
Stoich.:	A2B6C17D30 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.68
IP(EA), eV:	-9.05(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NC(C)C3=NN=CN3C

DOS

IR

Vibrations