Geometry & MOs

Info

ID:	395886
PubChem CID:	135026830
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	6.85
IP(EA), eV:	-7.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2,2-dimethylpropylideneamino)acetyl]amino]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@@]2(CC3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C

DOS

IR

Vibrations