Geometry & MOs

Info

ID:	319668
PubChem CID:	126656972
Reduced:	N8O10C35H52 (1)
Stoich.:	A8B10C35D52 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-395.54
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-ethyl-N-propylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@]2(CC=C([C@H]3[C@]2(CCN1C)C4=C(C=CC(=C4O3)OC)C)OC(=O)N(C)C[C@@H](C(=O)N(C)CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C)O

DOS

IR

Vibrations