Geometry & MOs

Info

ID:	368017
PubChem CID:	127326509
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	6.49
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNC2=O)C(=O)NCC3=CC(=CC=C3)N4C=CN=C4

DOS

IR

Vibrations