Geometry & MOs

Info

ID:	176745
PubChem CID:	76092269
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	215.149458
ΔH_f, kcal/mol:	-210.27
Dipole, Da:	4.59
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-amino-5-(diaminomethylideneamino)pentylidene]amino]urea

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCOC(=O)C(=CC1=CC=C(C=C1)C)[N+]#[C-]

DOS

IR

Vibrations