Geometry & MOs

Info

ID:	158909
PubChem CID:	57244188
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	167.55
Dipole, Da:	1.81
IP(EA), eV:	-9.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl)methyl 4-(diaminomethylideneamino)benzoate

Drug info:

PubChemData

Smile

CC(C#C)C1=CC(=NC(=C1)C(C)C#C)C(C)C#C

DOS

IR

Vibrations