Geometry & MOs

Info

ID:	390943
PubChem CID:	135001704
Reduced:	N7O11C34H63 (1)
Stoich.:	A7B11C34D63 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-605.8
Dipole, Da:	2.8
IP(EA), eV:	-9.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-hydroxybut-1-en-2-yl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)OC)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)N

DOS

IR

Vibrations