Geometry & MOs

Info

ID:	351940
PubChem CID:	127282858
Reduced:	O2N5C20H37 (1)
Stoich.:	A2B5C20D37 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	5.55
IP(EA), eV:	-8.97(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)NC3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations